Mott Transition and Suppression of Orbital Fluctuations in Orthorhombic 3d1 
Perovskites

Pavarini, E.; Biermann, S.; Poteryaev, A.; Lichtenstein, A. I.; Georges, A.; Andersen, O. K.

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Mott Transition and Suppression of Orbital Fluctuations in Orthorhombic 3d¹ Perovskites

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Pavarini, E.
Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;

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Lichtenstein, A. I.
Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;
Department Quantum Many-Body Theory (Walter Metzner), Max Planck Institute for Solid State Research, Max Planck Society;

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Andersen, O. K.
Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;

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Citation

Pavarini, E., Biermann, S., Poteryaev, A., Lichtenstein, A. I., Georges, A., & Andersen, O. K. (2004). Mott Transition and Suppression of Orbital Fluctuations in Orthorhombic 3d¹ Perovskites. Physical Review Letters, 92(17): 176403.

Cite as: https://hdl.handle.net/21.11116/0000-000E-FB5D-0

Abstract

Using t(2g) Wannier functions, a low-energy Hamiltonian is derived for
orthorhombic 3d(1) transition-metal oxides. Electronic correlations are
treated with a new implementation of dynamical mean-field theory for
noncubic systems. Good agreement with photoemission data is obtained.
The interplay of correlation effects and cation covalency (GdFeO3-type
distortions) is found to suppress orbital fluctuations in LaTiO3 and
even more in YTiO3, and to favor the transition to the insulating state.